5-(2-hydroxyethoxy)-2-iodylnaphthalene-1-carboxylic acid

C13H11IO6 — CID 23357659

IUPAC5-(2-hydroxyethoxy)-2-iodylnaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(I(=O)=O)ccc2c(OCCO)cccc12
InChIInChI=1S/C13H11IO6/c15-6-7-20-11-3-1-2-9-8(11)4-5-10(14(18)19)12(9)13(16)17/h1-5,15H,6-7H2,(H,16,17)
InChIKeyZBFKAGWCIVIDAS-UHFFFAOYSA-N
MW390.13 g/mol
LogP2.28
Rot. Bonds5

About 5-(2-hydroxyethoxy)-2-iodylnaphthalene-1-carboxylic acid

5-(2-hydroxyethoxy)-2-iodylnaphthalene-1-carboxylic acid (PubChem CID 23357659) has the molecular formula C13H11IO6 and a molecular weight of 390.13 g/mol. Its IUPAC name is 5-(2-hydroxyethoxy)-2-iodylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxyethoxy)-2-iodylnaphthalene-1-carboxylic acid
PubChem CID23357659
Molecular FormulaC13H11IO6
Molecular Weight390.13 g/mol
Exact Mass389.96
IUPAC Name5-(2-hydroxyethoxy)-2-iodylnaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(I(=O)=O)ccc2c(OCCO)cccc12
InChIInChI=1S/C13H11IO6/c15-6-7-20-11-3-1-2-9-8(11)4-5-10(14(18)19)12(9)13(16)17/h1-5,15H,6-7H2,(H,16,17)
InChIKeyZBFKAGWCIVIDAS-UHFFFAOYSA-N
XLogP2.28
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.13
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,6-bis(2-hydroxyethoxy)benzoic acid
CID 54256937
2-[2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 139797700
2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 58864087
sodium;2-bromoethanol;5-(2-hydroxyethoxy)naphthalen-1-ol;naphthalene-1,5-diol;hydroxide
CID 161080823
ethyl 2-(2-hydroxyethoxy)-6-methylbenzoate
CID 10585223
2-hexadecoxy-6-(4-hydroxybutoxy)benzoic acid
CID 139706110
2-[2-[5-(2-ethoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 144738763
4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid
CID 121004218
2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
CID 104825495
2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid
CID 22685904
4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
CID 135239341
2-[8-(2-hydroxyethoxy)naphthalen-1-yl]oxyethanol
CID 21424545

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethoxy)-2-iodylnaphthalene-1-carboxylic acid?
The IUPAC name of 5-(2-hydroxyethoxy)-2-iodylnaphthalene-1-carboxylic acid (CID 23357659) is 5-(2-hydroxyethoxy)-2-iodylnaphthalene-1-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxyethoxy)-2-iodylnaphthalene-1-carboxylic acid?
The canonical SMILES for 5-(2-hydroxyethoxy)-2-iodylnaphthalene-1-carboxylic acid is O=C(O)c1c(I(=O)=O)ccc2c(OCCO)cccc12.
What is the InChIKey of 5-(2-hydroxyethoxy)-2-iodylnaphthalene-1-carboxylic acid?
The InChIKey is ZBFKAGWCIVIDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IO6/c15-6-7-20-11-3-1-2-9-8(11)4-5-10(14(18)19)12(9)13(16)17/h1-5,15H,6-7H2,(H,16,17).
What are the key properties of 5-(2-hydroxyethoxy)-2-iodylnaphthalene-1-carboxylic acid?
5-(2-hydroxyethoxy)-2-iodylnaphthalene-1-carboxylic acid has a molecular weight of 390.13 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethoxy)-2-iodylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 23357659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).